potassium 2-hydroxyicosa-2,4-dienoate

C20H35KO3 — CID 172807710

IUPACpotassium 2-hydroxyicosa-2,4-dienoate
SMILESCCCCCCCCCCCCCCCC=CC=C(O)C(=O)[O-].[K+]
InChIInChI=1S/C20H36O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h16-18,21H,2-15H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyRSYUSRRHCASYCG-UHFFFAOYSA-M
MW362.60 g/mol
LogP2.22
Rot. Bonds16

About potassium 2-hydroxyicosa-2,4-dienoate

potassium 2-hydroxyicosa-2,4-dienoate (PubChem CID 172807710) has the molecular formula C20H35KO3 and a molecular weight of 362.60 g/mol. Its IUPAC name is potassium 2-hydroxyicosa-2,4-dienoate.

Molecular Properties

Compound Namepotassium 2-hydroxyicosa-2,4-dienoate
PubChem CID172807710
Molecular FormulaC20H35KO3
Molecular Weight362.60 g/mol
Exact Mass362.22
IUPAC Namepotassium 2-hydroxyicosa-2,4-dienoate
SMILESCCCCCCCCCCCCCCCC=CC=C(O)C(=O)[O-].[K+]
InChIInChI=1S/C20H36O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h16-18,21H,2-15H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyRSYUSRRHCASYCG-UHFFFAOYSA-M
XLogP2.22
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020
7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid
CID 169110944
potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
(2E,4Z)-2-hexyldeca-2,4-dienoic acid
CID 87447693
2-pentadecylicosa-2,4-dienoic acid
CID 175591477
potassium (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 23712824
(3E,5Z)-tetradeca-3,5-dienoate
CID 25245804
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
2-propyldeca-2,4-dienoic acid
CID 54309324
dipotassium;(Z)-octadec-9-enoic acid;oxalate
CID 173439373

Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxyicosa-2,4-dienoate?
The IUPAC name of potassium 2-hydroxyicosa-2,4-dienoate (CID 172807710) is potassium 2-hydroxyicosa-2,4-dienoate.
What is the SMILES notation for potassium 2-hydroxyicosa-2,4-dienoate?
The canonical SMILES for potassium 2-hydroxyicosa-2,4-dienoate is CCCCCCCCCCCCCCCC=CC=C(O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-hydroxyicosa-2,4-dienoate?
The InChIKey is RSYUSRRHCASYCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23;/h16-18,21H,2-15H2,1H3,(H,22,23);/q;+1/p-1.
What are the key properties of potassium 2-hydroxyicosa-2,4-dienoate?
potassium 2-hydroxyicosa-2,4-dienoate has a molecular weight of 362.60 g/mol, XLogP of 2.22, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxyicosa-2,4-dienoate is sourced from PubChem (CID 172807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).